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	hartrees
Energy at 0K	-975.694996
Energy at 298.15K	-975.695186
HF Energy	-975.694996
Nuclear repulsion energy	130.854044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3291	3283	15.76	66.38	0.19	0.32
2	A'	999	996	37.86	5.14	0.70	0.82
3	A'	566	564	0.97	20.40	0.09	0.16
4	A'	252	251	0.05	17.75	0.42	0.59
5	A"	1234	1231	0.48	4.95	0.75	0.86
6	A"	529	528	124.24	8.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.023	0.833	0.000
H2	-0.963	1.144	0.000
Cl3	0.023	-0.205	1.511
Cl4	0.023	-0.205	-1.511

	N1	H2	Cl3	Cl4
N1		1.0338	1.8336	1.8336
H2	1.0338		2.2528	2.2528
Cl3	1.8336	2.2528		3.0226
Cl4	1.8336	2.2528	3.0226

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	99.789		H2	N1	Cl4	99.789
Cl3	N1	Cl4	111.019

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: BLYP/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	-0.263
2	H	0.251
3	Cl	0.006
4	Cl	0.006

	x	y	z	Total
	-1.560	0.426	0.000	1.618
CHELPG
AIM
ESP

	x	y	z
x	2.679	-0.210	0.000
y	-0.210	3.724	0.000
z	0.000	0.000	7.973

<r²>	105.560
(<r²>)^1/2	10.274

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)